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    Suitability of binary oxides for molecular-beam epitaxy source materials: A comprehensive thermodynamic analysis
    (Melville, NY : AIP Publ., 2020) Adkison, Kate M.; Shang, Shun-Li; Bocklund, Brandon J.; Klimm, Detlef; Schlom, Darrell G.; Liu, Zi-Kui
    We have conducted a comprehensive thermodynamic analysis of the volatility of 128 binary oxides to evaluate their suitability as source materials for oxide molecular-beam epitaxy (MBE). 16 solid or liquid oxides are identified that evaporate nearly congruently from stable oxide sources to gas species: As2O3, B2O3, BaO, MoO3, OsO4, P2O5, PbO, PuO2, Rb2O, Re2O7, Sb2O3, SeO2, SnO, ThO2, Tl2O, and WO3. An additional 24 oxides could provide molecular beams with dominant gas species of CeO, Cs2O, DyO, ErO, Ga2O, GdO, GeO, HfO, HoO, In2O, LaO, LuO, NdO, PmO, PrO, PuO, ScO, SiO, SmO, TbO, Te2O2, U2O6, VO2, and YO2. The present findings are in close accord with available experimental results in the literature. For example, As2O3, B2O3, BaO, MoO3, PbO, Sb2O3, and WO3 are the only oxides in the ideal category that have been used in MBE. The remaining oxides deemed ideal for MBE awaiting experimental verification. We also consider two-phase mixtures as a route to achieve the desired congruent evaporation characteristic of an ideal MBE source. These include (Ga2O3 + Ga) to produce a molecular beam of Ga2O(g), (GeO2 + Ge) to produce GeO(g), (SiO2 + Si) to produce SiO(g), (SnO2 + Sn) to produce SnO(g), etc.; these suboxide sources enable suboxide MBE. Our analysis provides the vapor pressures of the gas species over the condensed phases of 128 binary oxides, which may be either solid or liquid depending on the melting temperature. © 2020 Author(s).
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    Valley control by linearly polarized laser pulses: example of WSe2
    (Washington, DC : OSA, 2022) Sharma, S.; Elliott, P.; Shallcross, S.
    Electrons at the band edges of materials are endowed with a valley index, a quantum number locating the band edge within the Brillouin zone. An important question is then how this index may be controlled by laser pulses, with current understanding that it couples exclusively via circularly polarized light. Employing both tight-binding and state-of-the-art time dependent density function theory, we show that on femtosecond time scales valley coupling is a much more general effect. We find that two time separated linearly polarized pulses allow almost complete control over valley excitation, with the pulse time difference and polarization vectors emerging as key parameters for valley control. Our findings highlight the possibility of controlling coherent electronic excitation by successive femtosecond laser pulses, and offer a route towards valleytronics in two-dimensional materials.